{
  "annotation_id": "bee6601c-9c37-4619-8777-b46e2121278c",
  "date_created": "2026-03-02T18:00:46.030000Z",
  "date_modified": "2026-03-02T18:00:46.030000Z",
  "file_hash": "118cbf6ee66b71cb62e8492e97be77b8e7be5460d3d771befc7277748ebcec04",
  "private": false,
  "record": {
    "abstract": "A hybrid mesoscopic multi-particle collision model is used to study\ndiffusion-influenced reaction kinetics. The mesoscopic particle dynamics\nconserves mass, momentum and energy so that hydrodynamic effects are fully\ntaken into account. Reactive and non-reactive interactions with catalytic\nsolute particles are described by full molecular dynamics. Results are\npresented for large-scale, three-dimensional simulations to study the influence\nof diffusion on the rate constants of the A+C\u003c==\u003eB+C reaction. In the limit of\na dilute solution of catalytic C particles, the simulation results are compared\nwith diffusion equation approaches for both the irreversible and reversible\nreaction cases. Simulation results for systems where the volume fraction of\ncatalytic spheres is high are also presented, and collective interactions among\nreactions on catalytic spheres that introduce volume fraction dependence in the\nrate constants are studied.",
    "arxiv_id": "physics/0312046",
    "authors": [
      "Kay Tucci",
      "Raymond Kapral"
    ],
    "categories": [
      "physics.chem-ph",
      "physics.comp-ph"
    ],
    "doi": "10.1063/1.1690244",
    "journal_ref": "J. Chem. Phys., 120, 8262-8270 (2004)",
    "title": "Mesoscopic Model for Diffusion-Influenced Reaction Dynamics",
    "url": "https://arxiv.org/abs/physics/0312046"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "d2daeeb8-c19d-4c17-9197-73d553cab281",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}